2-chloro-N-(3-methoxypropyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-N-(3-methoxypropyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-N-(3-methoxypropyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0631 |
| Compound Name: | 2-chloro-N-(3-methoxypropyl)-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 374.89 |
| Molecular Formula: | C19 H19 Cl N2 O2 S |
| Smiles: | CC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCCOC)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.1873 |
| logD: | 4.1872 |
| logSw: | -4.5317 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.369 |
| InChI Key: | KJWKOHPPHXKRRE-UHFFFAOYSA-N |